CID 52927338

Pg(o-16:0/20:0)

Structural Information

Molecular Formula
C42H85O9P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C42H85O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-42(45)51-41(39-50-52(46,47)49-37-40(44)36-43)38-48-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h40-41,43-44H,3-39H2,1-2H3,(H,46,47)/t40-,41+/m0/s1
InChIKey
JGJCJCQPDCXVFE-WVILEFPPSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

764.59314 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.60042 289.1
[M+Na]+ 787.58236 286.8
[M-H]- 763.58586 275.4
[M+NH4]+ 782.62696 290.9
[M+K]+ 803.55630 291.5
[M+H-H2O]+ 747.59040 277.9
[M+HCOO]- 809.59134 285.7
[M+CH3COO]- 823.60699 287.2
[M+Na-2H]- 785.56781 264.5
[M]+ 764.59259 287.4
[M]- 764.59369 287.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.